[(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol

C12H26O3Si — CID 131875975

IUPAC[(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol
SMILESCC(C)(C)[Si]1(C(C)(C)C)OCC[C@H](CO)O1
InChIInChI=1S/C12H26O3Si/c1-11(2,3)16(12(4,5)6)14-8-7-10(9-13)15-16/h10,13H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyKOPIEMINVAEFKZ-SNVBAGLBSA-N
MW246.42 g/mol
LogP2.83
Rot. Bonds1

About [(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol

[(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol (PubChem CID 131875975) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol
PubChem CID131875975
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol
SMILESCC(C)(C)[Si]1(C(C)(C)C)OCC[C@H](CO)O1
InChIInChI=1S/C12H26O3Si/c1-11(2,3)16(12(4,5)6)14-8-7-10(9-13)15-16/h10,13H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyKOPIEMINVAEFKZ-SNVBAGLBSA-N
XLogP2.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E,1S,2R)-1-[(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-2-methylhex-3-en-1-ol
CID 10903584
[(4S,5S)-5-(azidomethyl)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol
CID 101386785
[(2R,5R)-5-tert-butyloxolan-2-yl]methanol
CID 14506377
[6-(2-methylbutan-2-yl)oxan-2-yl]methanol
CID 130979881
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
methyl 2,2-ditert-butyl-4-(hydroxymethyl)-4,5-dihydro-1,3,2-benzodioxasilepine-9-carboxylate
CID 528203
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-(2-hydroxyethyl)-1,3,2-dioxasilinan-4-yl]acetate
CID 91499780
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
hexane-1,2,5,6-tetrol;[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol;[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 159317615
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
ethanol;oxan-2-ylmethanol
CID 66900182

Frequently Asked Questions

What is the IUPAC name of [(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol?
The IUPAC name of [(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol (CID 131875975) is [(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol.
What is the SMILES notation for [(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol?
The canonical SMILES for [(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol is CC(C)(C)[Si]1(C(C)(C)C)OCC[C@H](CO)O1.
What is the InChIKey of [(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol?
The InChIKey is KOPIEMINVAEFKZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-11(2,3)16(12(4,5)6)14-8-7-10(9-13)15-16/h10,13H,7-9H2,1-6H3/t10-/m1/s1.
What are the key properties of [(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol?
[(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol has a molecular weight of 246.42 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]methanol is sourced from PubChem (CID 131875975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).